SCHEMBL20459039

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CC[C@@H](C(=O)NCCC2CC2C(=O)N[C@@](C=O)(CNCC(N)=O)CC(C)C)NC(=O)[C@H](CC(N)=O)NC[C@](C=O)(CCC(N)=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	3/20	0.38

▸	GRB2	P62993	15/20	0.37

▸	AVPR1A	P37288	1/20	0.35

▸	CTSG	P08311	1/20	0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL20458939	0.81	OXTR (0.56)	OXTRAVPR1A
SCHEMBL20459041	0.79	OXTR (0.49)	OXTRAVPR1A
SCHEMBL20458966	0.77	OXTR (0.57)	OXTRAVPR1A
SCHEMBL20459018	0.74	OXTR (0.53)	OXTRAVPR1A
SCHEMBL20459015	0.74	OXTR (0.41)	OXTRAVPR1A
SCHEMBL20459035	0.72	OXTR (0.46)	OXTRAVPR1A
SCHEMBL20459021	0.70	OXTR (0.68)	OXTRAVPR1A
SCHEMBL20459053	0.68	OXTR (0.54)	OXTRAVPR1A
SCHEMBL20459019	0.68	OXTR (0.59)	OXTRAVPR1A
SCHEMBL20459028	0.68	OXTR (0.61)	OXTRAVPR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2935312-B1	PEPTIDES AS OXYTOCIN AGONISTS	HOFFMANN LA ROCHE (CH)	2018-08-08	—	—	EP	disclosed